1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea

C15H25N3O — CID 107158914

IUPAC1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(N)CC(C)(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11-5-7-13(8-6-11)18-14(19)17-10-12(16)9-15(2,3)4/h5-8,12H,9-10,16H2,1-4H3,(H2,17,18,19)
InChIKeyOAFPHPHFKIPZKR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.88
Rot. Bonds4

About 1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea

1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea (PubChem CID 107158914) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
PubChem CID107158914
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(N)CC(C)(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11-5-7-13(8-6-11)18-14(19)17-10-12(16)9-15(2,3)4/h5-8,12H,9-10,16H2,1-4H3,(H2,17,18,19)
InChIKeyOAFPHPHFKIPZKR-UHFFFAOYSA-N
XLogP2.88
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea
CID 106286600
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
CID 107158602
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432
1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
CID 121261528
3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one
CID 116614561
N-tert-butyl-2-[(4-methylphenyl)carbamoylamino]acetamide
CID 17432752
1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
CID 94799282
3-amino-N-(4-hydroxyphenyl)-5,5-dimethylhexanamide
CID 113496986
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea (CID 107158914) is 1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCC(N)CC(C)(C)C)cc1.
What is the InChIKey of 1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea?
The InChIKey is OAFPHPHFKIPZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-5-7-13(8-6-11)18-14(19)17-10-12(16)9-15(2,3)4/h5-8,12H,9-10,16H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea?
1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea has a molecular weight of 263.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 107158914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).